5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one

C8H8N2O2 — CID 89385379

IUPAC5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C2CC=CO2)c[nH]1
InChIInChI=1S/C8H8N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1,3-5,7H,2H2,(H,9,10,11)
InChIKeyKDWHVOVVZYXGJD-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.75
Rot. Bonds1

About 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one

5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one (PubChem CID 89385379) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one
PubChem CID89385379
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C2CC=CO2)c[nH]1
InChIInChI=1S/C8H8N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1,3-5,7H,2H2,(H,9,10,11)
InChIKeyKDWHVOVVZYXGJD-UHFFFAOYSA-N
XLogP0.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one (CID 89385379) is 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one is O=c1ncc(C2CC=CO2)c[nH]1.
What is the InChIKey of 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one?
The InChIKey is KDWHVOVVZYXGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-8-9-4-6(5-10-8)7-2-1-3-12-7/h1,3-5,7H,2H2,(H,9,10,11).
What are the key properties of 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one?
5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrofuran-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 89385379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).